N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine

C10H19N3 — CID 105439777

IUPACN-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
SMILESCNCCc1cn[nH]c1CC(C)C
InChIInChI=1S/C10H19N3/c1-8(2)6-10-9(4-5-11-3)7-12-13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMKNMHTPJZISPKN-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.37
Rot. Bonds5

About N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine

N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine (PubChem CID 105439777) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
PubChem CID105439777
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
SMILESCNCCc1cn[nH]c1CC(C)C
InChIInChI=1S/C10H19N3/c1-8(2)6-10-9(4-5-11-3)7-12-13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyMKNMHTPJZISPKN-UHFFFAOYSA-N
XLogP1.37
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine (CID 105439777) is N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine is CNCCc1cn[nH]c1CC(C)C.
What is the InChIKey of N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine?
The InChIKey is MKNMHTPJZISPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)6-10-9(4-5-11-3)7-12-13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine?
N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine is sourced from PubChem (CID 105439777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).